SCHEMBL739389

SCHEMBL739389

Clc1cc(Br)ccc1OC1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
CSNK2A1 P68400 2/20 0.48
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
GRM2 Q14416 3/20 0.42
SLC6A4 P31645 4/20 0.41
RORC P51449 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR6 P50406 2/20 0.39
PDE4D Q08499 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16595618 0.91 ERBB2 (0.43) SYKCSNK2A1ALDH1A1MAPTHTT
SCHEMBL2415967 0.88 CSNK2A1 (0.50) CSNK2A1SLC6A4RORCKDM4ENPC1
SCHEMBL30717792 0.88 CSNK2A1 (0.50) CSNK2A1SLC6A4RORCKDM4ENPC1
SCHEMBL4806865 0.87 SYK (0.41) SYKCSNK2A1SLC6A4HTR6
SCHEMBL2419182 0.85 CSNK2A1 (0.59) CSNK2A1SLC6A4RORCKDM4ENPC1
SCHEMBL16595460 0.85 CSNK2A1 (0.55) CSNK2A1SLC6A4RORCKDM4ENPC1
SCHEMBL12908033 0.84 SYK (0.67) SYKCSNK2A1GRM2RORCPDE4D
SCHEMBL16695141 0.83 KMO (0.46) CSNK2A1ALDH1A1MAPTHTTSLC6A4
SCHEMBL12801503 0.81 SYK (0.44) SYKCSNK2A1MAPTHTTSLC6A4
SCHEMBL2834716 0.81 SYK (0.48) SYKSLC6A4PDE4DPDE4APDE4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063141-B1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARM INC (US) 2018-02-28 EP disclosed
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2016-09-29 US disclosed
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2016-09-29 US disclosed
US-9085577-B2 7-aryl-1,2,4-triazolo[4,3-A]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-07-21 US disclosed
US-9085577-B2 7-aryl-1,2,4-triazolo[4,3-A]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-07-21 US disclosed
US-9085577-B2 7-aryl-1,2,4-triazolo[4,3-A]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2015-07-21 US disclosed
US-9067891-B2 1,4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of mGluR2-receptors Janssen Pharmaceuticals, Inc. (US) 2015-06-30 US disclosed
WO-2015065937-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2015-05-07 WO disclosed
US-8906939-B2 3-cyano-4-(4-tetrahydropyran-phenyl)-pyridin-2-one derivatives Janssen Pharmaceuticals, Inc. (US) 2014-12-09 US disclosed
US-8906939-B2 3-cyano-4-(4-tetrahydropyran-phenyl)-pyridin-2-one derivatives Janssen Pharmaceuticals, Inc. (US) 2014-12-09 US disclosed
WO-2010130423-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
WO-2010130423-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
US-20100099715-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPTOR MODULATORS ORTHO-MCNEIL-JANSSEN PHARMECEUTICALS, INC (US) 2010-04-22 US disclosed
US-20100087487-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES Ortho-McNeil Janssen Pharmaceuticals Inc. (US) 2010-04-08 US disclosed
US-20100087487-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES Ortho-McNeil Janssen Pharmaceuticals Inc. (US) 2010-04-08 US disclosed
US-20100087487-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES Ortho-McNeil Janssen Pharmaceuticals Inc. (US) 2010-04-08 US disclosed
EP-2134690-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2 -RECEPTOR MODULATORS Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
WO-2008107481-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2008-09-12 WO disclosed
WO-2008107480-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2 -RECEPTOR MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2008-09-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100099715-A1 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPTOR MODULATORS GRM2, GRIK2, GRM1 SYK 2252/4885CSNK2A1 337/4885ALDH1A1 2716/4885
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES GRM2, GRM1, GRM3 SYK 2588/4885CSNK2A1 686/4885ALDH1A1 1533/4885
US-20100087487-A1 3-CYANO-4-(4-TETRAHYDROPYRAN-PHENYL)-PYRIDIN-2-ONE DERIVATIVES GRM2, GRM3, GRIK2 SYK 2046/4885CSNK2A1 402/4885ALDH1A1 2686/4885
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, UGCG, GBA2 SYK 3623/4885CSNK2A1 2133/4885ALDH1A1 961/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.